BDBM50433448 ISOALANTOLACTONE::Iso-Alantolacton

SMILES C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C

InChI Key InChIKey=CVUANYCQTOGILD-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50433448   

TargetHistone deacetylase 3(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMed
TargetHistone deacetylase 1(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]dihydroalprenolol from beta2 receptor (unknown origin) by liquid scintillation counting and cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMed
TargetHistone deacetylase 2(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMed
TargetHistone deacetylase 6(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 6.58E+3nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-activated human THP-1 cells assessed as inhibition of nigericin induced IL-1beta secretion preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTranscriptional activator Myb(Chicken)
University of M£Nster

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 1.92E+4nMAssay Description:Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed
TargetTranscriptional activator Myb(Chicken)
University of M£Nster

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataIC50: 1.92E+4nMAssay Description:Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed
TargetSignal transducer and activator of transcription 3(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50433448BDBM50433448(Iso-Alantolacton | ISOALANTOLACTONE)
Affinity DataKd:  4.61E+4nMAssay Description:Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMed